8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H39N5O2 — CID 70705001

About 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70705001) has the molecular formula C20H39N5O2 and a molecular weight of 381.57 g/mol. Its IUPAC name is 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70705001
• Molecular Formula: C20H39N5O2
• Molecular Weight: 381.57 g/mol
• Exact Mass: 381.31
• IUPAC Name: 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CCN1CCN(CCCN2CC3(CCN(CC(C)(C)N)CC3)OC2=O)CC1
• InChI: InChI=1S/C20H39N5O2/c1-4-22-12-14-23(15-13-22)8-5-9-25-17-20(27-18(25)26)6-10-24(11-7-20)16-19(2,3)21/h4-17,21H2,1-3H3
• InChIKey: NNXUJDNRMYUIBW-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 65.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.57
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70705001) is 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CCN(CCCN2CC3(CCN(CC(C)(C)N)CC3)OC2=O)CC1.

What is the InChIKey of 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is NNXUJDNRMYUIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O2/c1-4-22-12-14-23(15-13-22)8-5-9-25-17-20(27-18(25)26)6-10-24(11-7-20)16-19(2,3)21/h4-17,21H2,1-3H3.

What are the key properties of 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 381.57 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70705001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).